5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine

C22H39N3O — CID 166930817

IUPAC5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC1=C(C2CCN(C3CCN(C)CC3)CC2)C=C(OC(C)C)C(N)C1C
InChIInChI=1S/C22H39N3O/c1-15(2)26-21-14-20(16(3)17(4)22(21)23)18-6-12-25(13-7-18)19-8-10-24(5)11-9-19/h14-15,17-19,22H,6-13,23H2,1-5H3
InChIKeyHORITRPRNPGBPS-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.39
Rot. Bonds4

About 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine

5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine (PubChem CID 166930817) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
PubChem CID166930817
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Name5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC1=C(C2CCN(C3CCN(C)CC3)CC2)C=C(OC(C)C)C(N)C1C
InChIInChI=1S/C22H39N3O/c1-15(2)26-21-14-20(16(3)17(4)22(21)23)18-6-12-25(13-7-18)19-8-10-24(5)11-9-19/h14-15,17-19,22H,6-13,23H2,1-5H3
InChIKeyHORITRPRNPGBPS-UHFFFAOYSA-N
XLogP3.39
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 166930870
ethane;(4E)-2-methyl-5-[(1-piperidin-4-ylpiperidin-4-yl)methoxy]hepta-2,4-dien-3-amine
CID 170749584
(4E)-2-methyl-5-[(1-piperidin-4-ylpiperidin-4-yl)methoxy]hepta-2,4-dien-3-amine
CID 170749585

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine (CID 166930817) is 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine is CC1=C(C2CCN(C3CCN(C)CC3)CC2)C=C(OC(C)C)C(N)C1C.
What is the InChIKey of 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The InChIKey is HORITRPRNPGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-15(2)26-21-14-20(16(3)17(4)22(21)23)18-6-12-25(13-7-18)19-8-10-24(5)11-9-19/h14-15,17-19,22H,6-13,23H2,1-5H3.
What are the key properties of 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine has a molecular weight of 361.57 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166930817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).